Home Other Building Blocks sodium 3,4-dimethylbenzene-1-sulfinate

sodium 3,4-dimethylbenzene-1-sulfinate

CAS No.:
1276647-94-9
Catalog Number:
AG01BDUZ
Molecular Formula:
C8H9NaO2S
Molecular Weight:
192.2106
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Product Description
Catalog Number:
AG01BDUZ
Chemical Name:
sodium 3,4-dimethylbenzene-1-sulfinate
CAS Number:
1276647-94-9
Molecular Formula:
C8H9NaO2S
Molecular Weight:
192.2106
MDL Number:
MFCD24113282
IUPAC Name:
sodium;3,4-dimethylbenzenesulfinate
InChI:
InChI=1S/C8H10O2S.Na/c1-6-3-4-8(11(9)10)5-7(6)2;/h3-5H,1-2H3,(H,9,10);/q;+1/p-1
InChI Key:
ZNWJXJSZYBZSMD-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1ccc(c(c1)C)C.[Na+]
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.208g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties